2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one

C16H14N2O — CID 136691790

IUPAC2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc3ccccc23)c(C)c(=O)[nH]1
InChIInChI=1S/C16H14N2O/c1-10-15(17-11(2)18-16(10)19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyZNEDNYVOFNGUQS-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.21
Rot. Bonds1

About 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one

2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one (PubChem CID 136691790) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
PubChem CID136691790
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc3ccccc23)c(C)c(=O)[nH]1
InChIInChI=1S/C16H14N2O/c1-10-15(17-11(2)18-16(10)19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyZNEDNYVOFNGUQS-UHFFFAOYSA-N
XLogP3.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one (CID 136691790) is 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one is Cc1nc(-c2cccc3ccccc23)c(C)c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one?
The InChIKey is ZNEDNYVOFNGUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-15(17-11(2)18-16(10)19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one?
2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136691790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).